#======== # plotting #======== #======================= plotting_data.R #======================= ??? update how to run #======================= mcsm_mean_stability.R #======================= ??? update how to run # input: calls the "plotting_data.R" # output: _mean_stability.csv #====================== replaceBfactor_pdb.R #======================= # input: 2 files; pdb file and _mean_stability.csv (output from "mcsm_mean_stability.R") # output: 2 pdb files with bfactors replaced with 1) mean_duet and 2) mean_affinity values #======================= basic_barplots_PS.R #======================= # input: calls the "plotting_data.R" output plots: 2 svgs 1) basic_barplot_PS.svg 2) position_count_PS.svg #======================= barplot_colour_function.R" #======================= function that generates stability coloures (red to blue) based on the corresponding value. It is sourced by other scripts. #======================= subcols_axis.R # assigns colours to position numebers with bg and fg colours # sourced by other scripts. #======================= # input: calls the "plotting_data.R" # sourced by other scripts, no output perse! #======================= barplots_subcolours_aa_PS.R # barplot coloured by stability and position numbers coloured by active site colours #======================= # input: calls the "subcols_axis.R" and "barplot_colour_function.R" # output plots: 1 svg 1) barplot_acoloured_PS.svg #======================= barplots_subcolours_PS.R # same as the above script expcet no positional colouring #======================= # input: calls the "plotting_data.R" and "barplot_colour_function.R" # output plots: 1 svg 1) barplot_coloured_PS.svg ######################################################################## # ligand plots ######################################################################## #======================= basic_barplots_LIG.R # generates two basic barplots # No. of stabilsing and destabilising mutations for ligand_distance<10A # No. of SNPs per site #======================= # input: calls the "plotting_data.R" # output plots: 2 svgs 1) basic_barplot_LIG.svg 2) position_count_LIg.svg